(2-methoxy-5-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl)methyl acetate
Chemical Structure Depiction of
(2-methoxy-5-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl)methyl acetate
(2-methoxy-5-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl)methyl acetate
Compound characteristics
| Compound ID: | Y502-4801 |
| Compound Name: | (2-methoxy-5-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl)methyl acetate |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C14 H16 N4 O3 S |
| Smiles: | CC(=O)OCc1cc(/C=N/n2c(C)nnc2S)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.9612 |
| logD: | 0.2154 |
| logSw: | -1.9599 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.988 |
| InChI Key: | VPQSEXMDIQJAJZ-UHFFFAOYSA-N |